SCHEMBL474114

SCHEMBL474114

Nc1ccc(OCC(F)F)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.49
ALDH1A1 P00352 2/20 0.47
CDC25B P30305 1/20 0.47
CASP6 P55212 1/20 0.47
RCE1 Q9Y256 1/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 2/20 0.47
GFER P55789 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MCL1 Q07820 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
PKM P14618 1/20 0.46
APEX1 P27695 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8136810 0.84 ALDH1A1 (0.47) KEAP1ALDH1A1CDC25BCASP6RCE1
SCHEMBL100519 0.84 KDM4E (0.54) ALDH1A1KDM4EMAPTGLAMGLL
SCHEMBL29374149 0.82 KMT2A (0.55) KEAP1ALDH1A1CDC25BCASP6RCE1
SCHEMBL15808942 0.81 ALDH1A1 (0.47) ALDH1A1KMT2AKDM4EMCL1MEN1
SCHEMBL2714627 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EMCL1POLBAPEX1
SCHEMBL3134997 0.81 ALDH1A1 (0.44) KEAP1ALDH1A1CDC25BCASP6RCE1
SCHEMBL3135014 0.81 ALDH1A1 (0.44) KEAP1ALDH1A1CDC25BCASP6RCE1
Hydrochloric Acid SCHEMBL3134965 0.80 KMT2A (0.45) KEAP1ALDH1A1CDC25BCASP6RCE1
Hydrochloric Acid SCHEMBL3134975 0.80 KMT2A (0.45) KEAP1ALDH1A1CDC25BCASP6RCE1
SCHEMBL4411088 0.79 ALDH1A1 (0.50) ALDH1A1KMT2AKDM4EMEN1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205593-B1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI SA (FR) 2016-01-13 EP disclosed
EP-2416777-B1 THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES SANOFI SA (FR) 2014-11-12 EP disclosed
EP-2411009-B1 Therapeutic uses of quinazolinedione derivatives SANOFI SA (FR) 2013-03-20 EP disclosed
EP-2416777-A1 THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES SANOFI (FR) 2012-02-15 EP disclosed
EP-2411009-A1 THERAPEUTIC USES OF QUINAZOLINEDIONE DERIVATIVES SANOFI (FR) 2012-02-01 EP disclosed
WO-2010116090-A1 THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-10-14 WO disclosed
WO-2010109148-A1 THERAPEUTIC USES OF QUINAZOLINEDIONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-09-30 WO disclosed
EP-2205593-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF Sanofi-Aventis (FR) 2010-07-14 EP disclosed
WO-2009077680-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI-AVENTIS (FR) 2009-06-25 WO disclosed